N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine

C14H24N2O — CID 50985473

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine
SMILESCCN1CCC(CN(CC)Cc2ccco2)C1
InChIInChI=1S/C14H24N2O/c1-3-15-8-7-13(10-15)11-16(4-2)12-14-6-5-9-17-14/h5-6,9,13H,3-4,7-8,10-12H2,1-2H3
InChIKeyZEPWZPCPYVRKBS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.44
Rot. Bonds6

About N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine

N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine (PubChem CID 50985473) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine
PubChem CID50985473
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine
SMILESCCN1CCC(CN(CC)Cc2ccco2)C1
InChIInChI=1S/C14H24N2O/c1-3-15-8-7-13(10-15)11-16(4-2)12-14-6-5-9-17-14/h5-6,9,13H,3-4,7-8,10-12H2,1-2H3
InChIKeyZEPWZPCPYVRKBS-UHFFFAOYSA-N
XLogP2.44
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine (CID 50985473) is N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine is CCN1CCC(CN(CC)Cc2ccco2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is ZEPWZPCPYVRKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-15-8-7-13(10-15)11-16(4-2)12-14-6-5-9-17-14/h5-6,9,13H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 50985473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).